methanoyl 2-[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: methanoyl 2-[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: formyl 2-[4-(4-methylpiperazin-1-yl)-4-oxo-butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 2-[4-(4-methyl-1-piperazinyl)-1,4-dioxobutyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester IUPAC Name: formyl 2-[4-(4-methylpiperazin-1-yl)-4-oxobutanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 2-[4-keto-4-(4-methylpiperazino)butanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1C(=O)CCC(=O)N2CCN(CC2)C)C(=O)OC=O)CN3C=NC=N3

Isomeric SMILES

CCCC1=C(C=CC(=C1C(=O)CCC(=O)N2CCN(CC2)C)C(=O)OC=O)CN3C=NC=N3

InChI

InChI=1S/C23H29N5O5/c1-3-4-18-17(13-28-15-24-14-25-28)5-6-19(23(32)33-16-29)22(18)20(30)7-8-21(31)27-11-9-26(2)10-12-27/h5-6,14-16H,3-4,7-13H2,1-2H3